4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene

C10H12Br2O2 — CID 43141619

IUPAC4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(Br)cc1CBr
InChIInChI=1S/C10H12Br2O2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3
InChIKeySVYGBDMXKVFVLG-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.37
Rot. Bonds5

About 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene

4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene (PubChem CID 43141619) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
PubChem CID43141619
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(Br)cc1CBr
InChIInChI=1S/C10H12Br2O2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3
InChIKeySVYGBDMXKVFVLG-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056496
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3,5-trimethylbenzene
CID 63536019
9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
CID 132511511
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene?
The IUPAC name of 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene (CID 43141619) is 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene is COCCOc1ccc(Br)cc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene?
The InChIKey is SVYGBDMXKVFVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-13-4-5-14-10-3-2-9(12)6-8(10)7-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene?
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene has a molecular weight of 324.01 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 43141619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).